[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone

C23H26FNO4S — CID 73168118

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26FNO4S/c24-19-6-8-20(9-7-19)30(27,28)21-10-14-25(15-11-21)22(26)23(12-16-29-17-13-23)18-4-2-1-3-5-18/h1-9,21H,10-17H2
InChIKeyLKCLAAHSZZZISM-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.34
Rot. Bonds4

About [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 73168118) has the molecular formula C23H26FNO4S and a molecular weight of 431.53 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID73168118
Molecular FormulaC23H26FNO4S
Molecular Weight431.53 g/mol
Exact Mass431.16
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26FNO4S/c24-19-6-8-20(9-7-19)30(27,28)21-10-14-25(15-11-21)22(26)23(12-16-29-17-13-23)18-4-2-1-3-5-18/h1-9,21H,10-17H2
InChIKeyLKCLAAHSZZZISM-UHFFFAOYSA-N
XLogP3.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 73168118) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is LKCLAAHSZZZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4S/c24-19-6-8-20(9-7-19)30(27,28)21-10-14-25(15-11-21)22(26)23(12-16-29-17-13-23)18-4-2-1-3-5-18/h1-9,21H,10-17H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 431.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 73168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).